Related papers: Organic Molecules on Wide-Gap Insulators: Electron…
With the hierarchical Green's function approach, we study a doped Mott insulator described with the Hubbard model by analytically solving the equations of motion of an one-particle Green's function and related multiple-point correlation…
Electron-phonon and exciton-phonon interactions in nanoclusters are formulated and computed under the framework of GW-BSE (Bethe-Salpeter equation) approach. The phonon effect is modeled with the two-particle representation for the first…
The coherent many-body interaction at the organic-inorganic interface can give rise to intriguing hybrid excitons that combine the advantages of the Wannier-Mott and Frenkel excitons simultaneously. Unlike the 2D inorganic heterostructures…
Excitonic effects in optical spectra and electron-hole pair excitations are described by solutions of the Bethe-Salpeter equation (BSE) that accounts for the Coulomb interaction of excited electron-hole pairs. Although for the computation…
Photogenerated excitonic ensembles confined in coupled GaAs quantum wells are probed by a complementary approach of emission spectroscopy and resonant inelastic light scattering. Lateral electrostatic trap geometries are used to create…
The excitonic insulator is an elusive electronic phase exhibiting a correlated excitonic ground state. Materials with such a phase are expected to have intriguing properties such as excitonic high-temperature superconductivity. However,…
We present a theoretical model of composite excitonic states in doped semiconductors. Many-body interactions between a photoexcited electron-hole pair and the electron gas are integrated into a computationally tractable few-body problem,…
The interaction driven transition between quantum spin-Hall and Mott insulators in the Bernevig, Hughes and Zhang model is studied by dynamical cluster approximation, and found to be accompanied by the emergence of Green's function zeros…
We study within the many-body Green's function GW and Bethe-Salpeter formalisms the excitation energies of a paradigmatic model dipeptide, focusing on the four lowest-lying local and charge-transfer excitations. Our GW calculations are…
Excitons in the weakly interacting regime can be well-described by many-body perturbation theories such as the Bethe-Salpeter equation formalism. However, for materials such as transition metal dichalcogenides moir\'e heterostructures under…
We present a theoretical study of interacting electron-hole pairs located on a magnetized surface of a strong topological insulator (TI). The excitonic energy levels and the optical absorption on such surface display unique and potentially…
Shift current transient are obtained for near band gap excitation of bulk GaAs by numerical solutions of the semiconductor Bloch equations in a basis obtained from a 14 band k.p model of the band structure. This approach provides a…
We propose a new model to implement organic exciton-semiconductor exciton hybridization by embedding a semiconductor quantum dot array into an organic medium. A Wannier-Mott transfer exciton is formed when the exciton in each semiconductor…
In this paper we present a model for the electronic excited states of $\pi$ conjugated -acene molecules such as tetracene, pentacene, and hexacene. We use a simple Hubbard model with a limited basis to describe the low lying excitations…
We consider exciton- and light-induced current in molecular nanojunctions. Using a model comprising a two two-level sites bridge connecting free electron reservoirs we show that the exciton coupling between the sites of the molecular bridge…
We study the electronic excitations near the charge-transfer gap in insulating CuO$_2$ planes, starting from a six-band model which includes $% p_\pi $ and $d_{xy}$ orbitals and Cu-O nearest-neighbor repulsion $U_{pd}$. While the low lying…
An ab initio QED approach to treat a valence-hole excitation in closed shell systems is developed in the framework of the two-time-Green function method. The derivation considers a redefinition of the vacuum state and its excitation as a…
Electronic and optical excitations in two-dimensional moir\'e systems are uniquely sensitive to local atomic registries, leading to materials- and twist-angle specific correlated electronic ground states with varied degree of localization.…
Electron injection from an adsorbed molecule to the substrate (heterogeneous electron transfer) is studied. One reaction coordinate is used to model this process. The surface phonons and/or the electron-hole pairs together with the internal…
Using first-principles calculations, we systematically study the adsorption behaviors of molecular CO on the Be (0001) surface. By calculating the potential energy surfaces, we find that CO molecularly adsorbs on the Be surface with small…